2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C8H10FN3O2 — CID 80550980

IUPAC2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CNC2CC2)nc(O)c1F
InChIInChI=1S/C8H10FN3O2/c9-6-7(13)11-5(12-8(6)14)3-10-4-1-2-4/h4,10H,1-3H2,(H2,11,12,13,14)
InChIKeyAUSBGAQCBSORLQ-UHFFFAOYSA-N
MW199.18 g/mol
LogP-0.13
Rot. Bonds3

About 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550980) has the molecular formula C8H10FN3O2 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550980
Molecular FormulaC8H10FN3O2
Molecular Weight199.18 g/mol
Exact Mass199.08
IUPAC Name2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CNC2CC2)nc(O)c1F
InChIInChI=1S/C8H10FN3O2/c9-6-7(13)11-5(12-8(6)14)3-10-4-1-2-4/h4,10H,1-3H2,(H2,11,12,13,14)
InChIKeyAUSBGAQCBSORLQ-UHFFFAOYSA-N
XLogP-0.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550980) is 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(CNC2CC2)nc(O)c1F.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AUSBGAQCBSORLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c9-6-7(13)11-5(12-8(6)14)3-10-4-1-2-4/h4,10H,1-3H2,(H2,11,12,13,14).
What are the key properties of 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 199.18 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).